CID 13145644

86912-84-7

Structural Information

Molecular Formula

C₁₀H₉ClO₂

SMILES

C#CC(COC1=CC(=CC=C1)Cl)O

InChI

InChI=1S/C10H9ClO2/c1-2-9(12)7-13-10-5-3-4-8(11)6-10/h1,3-6,9,12H,7H2

InChIKey

CEZMXOXWZYDVOU-UHFFFAOYSA-N

Compound name

1-(3-chlorophenoxy)but-3-yn-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 196.02911 Da
Monoisotopic Mass: 2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	197.03639	136.5
[M+Na]+	219.01833	149.4
[M+NH4]+	214.06293	141.5
[M+K]+	234.99227	140.1
[M-H]-	195.02183	130.1
[M+Na-2H]-	217.00378	140.3
[M]+	196.02856	136.0
[M]-	196.02966	136.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe